Hexitol (HCID 453)｜Huagongshe

Names & identifiers

Preferred name: Hexitol
IUPAC: hexane-1,2,3,4,5,6-hexol
English name: D-Iditol
Molecular formula: C6H14O6
Molecular weight: 182.17

Names & synonyms

Hexitol45007-61-2RefChem:922939GlyTouCan:G78453GCCHEBI:24583G78453GChexane-1,2,3,4,5,6-hexolhexane-1,2,3,4,5,6-hexaolC6H14O6D-Glucitol-2-dD-Sorbitol-UL-14CSORBITOL, (D)

Show more names

D-IditolD-Iditol>D-Iditol ,98%Sorbitol ImpurityD-Iditol USP/EP/BPSorbitol Impurity 1D-Iditol(2R,3S,4S,5R)-hexane-1,2,3,4,5,6-hexaol

D-Sorbitol-1-13CFibrinogen fraction 1(from bovine plasma)HexahydroxyhexaneNSC1944NSC9256ResulaxSorbilaxSorbitur

Database identifiers

CAS: 25878-23-3、45007-61-2、50-70-4、608-66-2、69-65-8、87-78-5
PubChem CID: 453
DTXSID: DTXSID901378819
ChEBI: CHEBI:125392
Nikkaji: J64.765I

Properties

Computed structural properties

XLogP: -3.1
Topological polar surface area: 121 Å²
Hydrogen bond donors: 6
Hydrogen bond acceptors: 6
Rotatable bonds: 5
Heavy atoms: 12
Formal charge: 0
Complexity: 105

Physicochemical properties

Melting point: 76 °C · 76 °C
Boiling point: 230 °C · 230 °C
Density: 1.596 · 1.596±0.06 g/cm3(Predicted)
refractive index: 3 ° · 3 ° (C=1, H2O)
storage temp.: -20 °C · -20°C
solubility: 1 mg/ml,DMSO: · DMF: 1 mg/ml,DMSO: 2 mg/ml,Ethanol: insol,PBS (pH 7.2): 5 mg/ml
Water Solubility: Soluble in water
form: powder to crystal
pka: 13.14 · 13.14±0.20(Predicted)
color: White to Almost white
CAS DataBase Reference: 25878 · 25878-23-3
FDA UNII: 82 FOM4R7CD · 82FOM4R7CD
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302+H312+H332
Precautionary statements: 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P321-P330-P362+P364-P501
HS Code: 29400090 · 29400090

Safety & regulation

Safety data

hs_code: 29400090
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302+H312+H332
Precautionary statements: P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P321-P330-P362+P364-P501